BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

794 related articles for article (PubMed ID: 22446782)

  • 1. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():325-35. PubMed ID: 22446782
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO-LUMO analysis of Pteridine2,4-dione.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 99():292-302. PubMed ID: 23085999
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: a comparative study.
    Prabavathi N; Nilufer A; Krishnakumar V; Akilandeswari L
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():226-41. PubMed ID: 22683558
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular structure, intramolecular hydrogen bonding and vibrational spectral investigation of 2-fluoro benzamide--a DFT approach.
    Krishnakumar V; Murugeswari K; Surumbarkuzhali N
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():410-20. PubMed ID: 23792236
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO-LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():449-74. PubMed ID: 23792240
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum chemical calculations on elucidation of molecular structure and spectroscopic insights on 2-amino-4-methoxy-6-methylpyrimidine and 2-amino-5-bromo-6-methyl-4-pyrimidinol--a comparative study.
    Prabavathi N; Nilufer A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():192-204. PubMed ID: 25440582
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The spectroscopic (FT-IR, FT-Raman and NMR), first order hyperpolarizability and HOMO-LUMO analysis of 2-mercapto-4(3H)-quinazolinone.
    Prabavathi N; Senthil Nayaki N
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():572-83. PubMed ID: 24815813
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV) investigations of antiepileptic drug Ethosuximide.
    Chamundeeswari SP; Samuel EJ; Sundaraganesan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):478-89. PubMed ID: 21943716
    [TBL] [Abstract][Full Text] [Related]  

  • 10. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S; Elamurugu Porchelvi E
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S; Ramachandran G
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():101-13. PubMed ID: 23751224
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method.
    Muthu S; Maheswari JU
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():154-63. PubMed ID: 22446762
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The spectroscopic (FTIR, FT-Raman, NMR and UV), first-order hyperpolarizability and HOMO-LUMO analysis of methylboronic acid.
    Rani U; Karabacak M; Tanrıverdi O; Kurt M; Sundaraganesan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():67-77. PubMed ID: 22446752
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.
    Vitnik VD; Vitnik ŽJ; Banjac NR; Valentić NV; Ušćumlić GS; Juranić IO
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():42-53. PubMed ID: 23981413
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
    Arunagiri C; Arivazhagan M; Subashini A
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
    Asiri AM; Karabacak M; Kurt M; Alamry KA
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids.
    Muthu S; Elamurugu Porchelvi E
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():220-35. PubMed ID: 23948564
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 40.